SCHEMBL25527406

SCHEMBL25527406

CC(C)(CC(=O)O)OC(=O)CS

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25527289 0.83 HMGCR (0.38) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL11965903 0.79 TSHR (0.46) TSHRHSD17B10
SCHEMBL25946692 0.78 HMGCR (0.41) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL27867631 0.76 TSHR (0.42) TSHRHSD17B10KDM4E
SCHEMBL29034716 0.76 HMGCR (0.42) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL25527459 0.75 TSHR (0.38) TSHRHSD17B10HMGCRCHRM1TBXA2R
SCHEMBL2963340 0.75 HMGCR (0.46) TSHRHSD17B10HMGCRCHRM1TBXA2R
SCHEMBL12533541 0.74 TSHR (0.41) TSHRHSD17B10FFAR1CPT2TDP1
SCHEMBL11809503 0.74 HMGCR (0.41) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL1186918 0.74

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed